SCHEMBL22795386

SCHEMBL22795386

N=c1n(-c2ccccc2)ccn1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
ATM Q13315 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 1/20 0.38
NOTUM Q6P988 1/20 0.38
HTT P42858 1/20 0.37
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
CYP2D6 P10635 1/20 0.36
COMT P21964 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
BLM P54132 1/20 0.35
MEN1 O00255 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21859333 0.84 INMT (0.40) SIGMAR1ATMDDB1CRBNSMN1; SMN2
SCHEMBL21859458 0.79 FDPS (0.34) SIGMAR1ATMDDB1CRBNSMN1; SMN2
SCHEMBL17211130 0.74 INMT (0.44) SIGMAR1ATMDDB1CRBNSMN1; SMN2
SCHEMBL14797462 0.72 DDB1 (0.52) ATMDDB1CRBNSMN1; SMN2KDM4E
SCHEMBL11472166 0.69 DDB1 (0.39) SIGMAR1ATMDDB1CRBNSMN1; SMN2
SCHEMBL30763485 0.69 DDB1 (0.48) SIGMAR1ATMDDB1CRBNSMN1; SMN2
SCHEMBL4228171 0.67 DDB1 (0.42) ATMDDB1CRBNSMN1; SMN2KDM4E
SCHEMBL20062013 0.65 KDM4E (0.43) ATMDDB1CRBNSMN1; SMN2KDM4E
SCHEMBL143175 0.65 ALDH1A1 (0.54) ATMDDB1CRBNSMN1; SMN2KDM4E
SCHEMBL7133435 0.64 GSK3A (0.48) ATMDDB1CRBNSMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392259-A1 ORTHOMETALLATED CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION AND COPOLYMERIZATION ARZOUMANIDIS GREGORY G (US) 2020-12-17 US disclosed